SCHEMBL9813596

SCHEMBL9813596

CCCCCCNC(=O)Oc1cccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.65
ALDH1A1 P00352 1/20 0.58
PGR P06401 1/20 0.58
GAA P10253 1/20 0.58
PTGS1 P23219 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
FAAH O00519 4/20 0.57
DRD3 P35462 4/20 0.57
DRD2 P14416 3/20 0.56
CNR1 P21554 3/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9813597 0.94 NCEH1 (0.72) NCEH1ALDH1A1PGRGAAPTGS1
SCHEMBL20396199 0.85 ALDH1A1 (0.54) NCEH1ALDH1A1PGRGAAPTGS1
SCHEMBL9813619 0.83 ALDH1A1 (0.69) NCEH1ALDH1A1PGRGAAPTGS1
SCHEMBL20483694 0.82 NCEH1 (0.63) NCEH1
SCHEMBL19712912 0.82 NCEH1 (0.63) NCEH1
SCHEMBL25277427 0.82 MGLL (0.64)
SCHEMBL30433811 0.82 MGLL (0.56)
SCHEMBL10724393 0.82 CTSD (0.61) ALDH1A1MAPK1HSD17B10CNR1
SCHEMBL25278333 0.80 MGLL (0.54) NCEH1
SCHEMBL25276938 0.80 MGLL (0.62) NCEH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178908-B1 CO-EXTRUSION OF MULTI-COMPONENT ECTOPARASITICIDAL PET COLLARS CONAGRA PET PRODUCTS, INC. (US) 1991-07-31 EP disclosed
US-4803956-A Animal collar for controlling fleas and ticks A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-14 US disclosed
EP-0178908-A2 Co-extrusion of multi-component ectoparasiticidal pet collars CONAGRA PET PRODUCTS, INC. (US) 1986-04-23 EP disclosed
US-4332817-A CARBAMATES WITH ALKANEDIOLS CELANESE CORPORATION (US) 1982-06-01 US disclosed
US-4226881-A ARYL OR HETEROCYCLIC N-ALKYL CARBAMATE, SYNERGISTIC ALKANEDIOL CELANESE CORPORATION (US) 1980-10-07 US disclosed
US-4150109-A DIAZINON, DIAZOXONE, COLLARS DICK PIERRE R G 1979-04-17 US disclosed